SCHEMBL19754685

SCHEMBL19754685

Cc1nc(-c2cccc(-c3ccccc3C)c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ HTR7 P34969 3/20 0.39
▸ LCK P06239 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ JAK3 P52333 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16158740 0.85 PTPN1 (0.44) L3MBTL1PTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL26575894 0.84 DPP4 (0.40) L3MBTL1PTPN1CYP1A2CYP2D6TSHR
SCHEMBL26575830 0.83 L3MBTL1 (0.40) L3MBTL1PTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL18212423 0.83 L3MBTL1 (0.68) L3MBTL1CYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL16158739 0.82 CYP1A2 (0.49) L3MBTL1PTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL16641469 0.82 MEN1 (0.43) L3MBTL1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21742662 0.81 L3MBTL1 (0.53) L3MBTL1PTPN1CYP1A2CYP2D6TSHR
SCHEMBL20071974 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20620044 0.80 GP6 (0.40) L3MBTL1TSHRALDH1A1MAPK1HSD17B10
SCHEMBL17536903 0.80 KDM4E (0.45) CYP1A2CYP3A4CYP2D6TSHRCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170373255-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170373255-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 L3MBTL1 4382/4885PTPN1 710/4885CYP1A2 226/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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